Statements (48)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:software
|
| gptkbp:abbreviation |
gptkb:CDK
|
| gptkbp:category |
gptkb:software
Java libraries cheminformatics software |
| gptkbp:citation |
Steinbeck, C. et al. (2003) 'The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics', J Chem Inf Comput Sci 43, 493-500.
Willighagen, E.L. et al. (2017) 'The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching', J Cheminform 9, 33. |
| gptkbp:contributedTo |
gptkb:Egon_Willighagen
gptkb:Daniel_Lowe gptkb:John_May gptkb:Gareth_Jones gptkb:Sam_Adams Andreas Ihlenfeldt Christoph Steinbeck Gilleain Torrance Nina Jeliazkova Ola Spjuth Rajarshi Guha Stefan Kuhn Stefan Senger |
| gptkbp:domain |
cheminformatics
|
| gptkbp:feature |
file format conversion
molecular descriptor calculation substructure searching QSAR modeling 3D coordinate generation InChI support SMILES parsing aromaticity detection atom typing fingerprint generation isotope handling ring perception stereochemistry support structure diagram generation |
| gptkbp:firstReleased |
2000
|
| https://www.w3.org/2000/01/rdf-schema#label |
Chemistry Development Kit
|
| gptkbp:license |
gptkb:GPL
gptkb:LGPL gptkb:Apache_License_2.0 |
| gptkbp:programmingLanguage |
gptkb:Java
|
| gptkbp:repository |
https://github.com/cdk/cdk
|
| gptkbp:usedIn |
academic research
open source projects commercial software |
| gptkbp:website |
https://cdk.github.io/
|
| gptkbp:bfsParent |
gptkb:Egon_Willighagen
|
| gptkbp:bfsLayer |
7
|